⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22542734 | 0.85 | — | — | |
| SCHEMBL16857320 | 0.73 | ALOX5AP (0.30) | — | |
| SCHEMBL22542776 | 0.72 | — | — | |
| SCHEMBL16856965 | 0.72 | POLB (0.31) | — | |
| SCHEMBL16856940 | 0.72 | — | — | |
| SCHEMBL27192157 | 0.71 | PRMT5 (0.36) | — | |
| SCHEMBL31509842 | 0.71 | PRMT5 (0.36) | — | |
| SCHEMBL16857176 | 0.68 | CFTR (0.32) | — | |
| SCHEMBL16857146 | 0.66 | FGFR1 (0.38) | — | |
| SCHEMBL24850990 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150299188-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| EP-2889291-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-07-01 | — | — | EP | disclosed |
| CN-104755465-A | Heterocyclic compounds | TAKEDA PHARMACEUTICAL | 2015-07-01 | — | — | CN | disclosed |